2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid

C15H15BrN2O2 — CID 107636058

IUPAC2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Nc2cccc(Br)c2C)n1
InChIInChI=1S/C15H15BrN2O2/c1-3-11-7-10(15(19)20)8-14(17-11)18-13-6-4-5-12(16)9(13)2/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLIZPLZORXYYDBL-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.16
Rot. Bonds4

About 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid

2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid (PubChem CID 107636058) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid
PubChem CID107636058
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Nc2cccc(Br)c2C)n1
InChIInChI=1S/C15H15BrN2O2/c1-3-11-7-10(15(19)20)8-14(17-11)18-13-6-4-5-12(16)9(13)2/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLIZPLZORXYYDBL-UHFFFAOYSA-N
XLogP4.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid
CID 107645154
2-ethyl-6-(4-iodoanilino)pyridine-4-carboxylic acid
CID 113380098
2-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
CID 107613288
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
N-(2,6-dibromophenyl)-2-ethyl-6-(methylamino)pyridine-4-carboxamide
CID 107603232
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107631129
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid
CID 113378581
N-(3-bromo-2-methylphenyl)-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 107639485
2-(3-bromo-2-methylanilino)quinoline-4-carbonitrile
CID 107635048

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid (CID 107636058) is 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(Nc2cccc(Br)c2C)n1.
What is the InChIKey of 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid?
The InChIKey is LIZPLZORXYYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-3-11-7-10(15(19)20)8-14(17-11)18-13-6-4-5-12(16)9(13)2/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid?
2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylanilino)-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 107636058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).